SCHEMBL9846996

SCHEMBL9846996

CC(O)c1cnccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.38
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
AOC1 P19801 3/20 0.36
AOC3 Q16853 3/20 0.36
CYP11B2 P19099 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9847024 0.98 GAA (0.42) GAAKDM4EALDH1A1TDP1MEN1
SCHEMBL29689206 0.83 KDM4E (0.42) GAAKDM4EALDH1A1TDP1MEN1
SCHEMBL18824819 0.83 KDM4E (0.42) GAAKDM4EALDH1A1TDP1MEN1
SCHEMBL11595363 0.83 GAA (0.46) GAAKDM4EALDH1A1TDP1MEN1
SCHEMBL15390034 0.79 GAA (0.43) GAAKDM4EALDH1A1TDP1MEN1
SCHEMBL9846960 0.79 GAA (0.39) GAAKDM4EALDH1A1TDP1MEN1
SCHEMBL14614970 0.77 GAA (0.44) GAAKDM4EALDH1A1TDP1MAPT
SCHEMBL25208193 0.75 RPS6KA3 (0.44) GAAMAPTCYP11B2RPS6KA3
SCHEMBL17318479 0.75 GAA (0.39) GAAKDM4EMEN1MAPTKMT2A
SCHEMBL23489766 0.75 GAA (0.39) GAAKDM4EMEN1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998611-B2 Cryptophycin antibody conjugates for the treatment of cancer SANOFI (FR) 2024-06-04 US disclosed
US-20210228726-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2021-07-29 US disclosed
US-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2021-06-03 US disclosed
US-11007275-B2 Cryptophycin antibody conjugates for the treatment of cancer SANOFI (FR) 2021-05-18 US disclosed
US-10941139-B2 Cryptophycin compounds and conjugates, their preparation and their therapeutic use SANOFI (FR) 2021-03-09 US disclosed
US-20200093934-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS RECHERCHE & DÉVELOPPEMENT (FR) 2020-03-26 US disclosed
US-20200054760-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) 2020-02-20 US disclosed
EP-3371179-B1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2019-08-07 EP disclosed
US-20180369401-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS RECHERCHE & DEVELOPPEMENT (FR) 2018-12-27 US disclosed
EP-3371179-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2018-09-12 EP disclosed
CN-108349960-A New nostoc element compound and conjugate, their preparation and their therapeutical uses 赛诺菲 2018-07-31 CN disclosed
WO-2017076998-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI (FR) 2017-05-11 WO disclosed
EP-0435222-A2 Aminopyridinylmethanols and aminomethylpyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-07-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11998611-B2 Cryptophycin antibody conjugates for the treatment of cancer CLSPN, HCCS, INCENP GAA 567/4885KDM4E 3373/4885ALDH1A1 2828/4885
US-11007275-B2 Cryptophycin antibody conjugates for the treatment of cancer XPOT, CHMP4B, XPO5 GAA 242/4885KDM4E 2733/4885ALDH1A1 2273/4885
US-20200054760-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE CLSPN, RPN1, MRPL37 GAA 1593/4885KDM4E 4098/4885ALDH1A1 3013/4885
US-20210163458-A1 NOVEL CRYPTOPHYCIN COMPOUNDS AND CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE XPOT, HCCS, COIL GAA 455/4885KDM4E 3509/4885ALDH1A1 2408/4885
US-20200093934-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE CLSPN, RPN1, MRPL37 GAA 1593/4885KDM4E 4098/4885ALDH1A1 3013/4885
US-10941139-B2 Cryptophycin compounds and conjugates, their preparation and their therapeutic use XPOT, COIL, HCCS GAA 269/4885KDM4E 3372/4885ALDH1A1 2353/4885
US-20180369401-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE CLSPN, RPN1, MRPL37 GAA 1593/4885KDM4E 4098/4885ALDH1A1 3013/4885
US-20210228726-A1 NOVEL PEPTIDIC LINKERS AND CRYPTOPHYCIN CONJUGATES, THEIR PREPARATION AND THEIR THERAPEUTIC USE CLSPN, RPN1, MRPL37 GAA 1593/4885KDM4E 4098/4885ALDH1A1 3013/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.